SCHEMBL10447006

SCHEMBL10447006

O=C(Nc1ccc(F)cc1F)N(Cc1cccnc1)C1Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 9/20 0.46
▸ DCUN1D1 Q96GG9 9/20 0.46
▸ MAPT P10636 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PPIA P62937 1/20 0.41
▸ HTT P42858 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10446648 0.83 UBE2M (0.51) UBE2MDCUN1D1MAPTTHRBPOLB
SCHEMBL10447056 0.83 UBE2M (0.51) UBE2MDCUN1D1MAPTTHRBPOLB
SCHEMBL10446762 0.83 UBE2M (0.52) UBE2MDCUN1D1MAPTTHRBPOLB
SCHEMBL10446628 0.82 UBE2M (0.49) UBE2MDCUN1D1POLBTAS1R3TAS1R1
SCHEMBL10446998 0.82 RAB9A (0.46) TAS1R3TAS1R1TAS1R2RAB9APPIA
SCHEMBL10447010 0.81 PPARG (0.56) UBE2MDCUN1D1POLBTAS1R3TAS1R1
SCHEMBL10447033 0.80 UBE2M (0.49) UBE2MDCUN1D1TAS1R3TAS1R1TAS1R2
SCHEMBL10446687 0.80 UBE2M (0.48) UBE2MDCUN1D1POLBTAS1R3TAS1R1
SCHEMBL10446830 0.79 MEN1 (0.52) UBE2MDCUN1D1MAPTTHRBTAS1R3
SCHEMBL10446424 0.79 RAB9A (0.46) UBE2MDCUN1D1MAPTTAS1R3TAS1R1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 — — EP disclosed
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